(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide

C11H17N3O — CID 79100245

IUPAC(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H17N3O/c1-8-5-6-9(2)14(8)13-11(15)10-4-3-7-12-10/h5-6,10,12H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyPUJXNVNUOKZWHW-JTQLQIEISA-N
MW207.28 g/mol
LogP0.93
Rot. Bonds2

About (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide

(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 79100245) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
PubChem CID79100245
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C)n1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H17N3O/c1-8-5-6-9(2)14(8)13-11(15)10-4-3-7-12-10/h5-6,10,12H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyPUJXNVNUOKZWHW-JTQLQIEISA-N
XLogP0.93
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
2-phenyl-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 103870867
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 146156641
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
CID 104901241
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide (CID 79100245) is (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide is Cc1ccc(C)n1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is PUJXNVNUOKZWHW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-6-9(2)14(8)13-11(15)10-4-3-7-12-10/h5-6,10,12H,3-4,7H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide?
(2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylpyrrol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 79100245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).